1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one

C30H28N2O3 — CID 170007907

IUPAC1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one
SMILESO=C1CCN(c2cccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)c2)CC1
InChIInChI=1S/C30H28N2O3/c33-27-16-18-32(19-17-27)26-13-7-12-25(20-26)28-14-15-29(34-21-23-8-3-1-4-9-23)31-30(28)35-22-24-10-5-2-6-11-24/h1-15,20H,16-19,21-22H2
InChIKeyGGLLEMBWDBEFTI-UHFFFAOYSA-N
MW464.57 g/mol
LogP6.08
Rot. Bonds8

About 1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one

1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one (PubChem CID 170007907) has the molecular formula C30H28N2O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one
PubChem CID170007907
Molecular FormulaC30H28N2O3
Molecular Weight464.57 g/mol
Exact Mass464.21
IUPAC Name1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one
SMILESO=C1CCN(c2cccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)c2)CC1
InChIInChI=1S/C30H28N2O3/c33-27-16-18-32(19-17-27)26-13-7-12-25(20-26)28-14-15-29(34-21-23-8-3-1-4-9-23)31-30(28)35-22-24-10-5-2-6-11-24/h1-15,20H,16-19,21-22H2
InChIKeyGGLLEMBWDBEFTI-UHFFFAOYSA-N
XLogP6.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one?
The IUPAC name of 1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one (CID 170007907) is 1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one.
What is the SMILES notation for 1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one?
The canonical SMILES for 1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one is O=C1CCN(c2cccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)c2)CC1.
What is the InChIKey of 1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one?
The InChIKey is GGLLEMBWDBEFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O3/c33-27-16-18-32(19-17-27)26-13-7-12-25(20-26)28-14-15-29(34-21-23-8-3-1-4-9-23)31-30(28)35-22-24-10-5-2-6-11-24/h1-15,20H,16-19,21-22H2.
What are the key properties of 1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one?
1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one has a molecular weight of 464.57 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one is sourced from PubChem (CID 170007907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).